John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AKIBOz2rntt SpectraBase Spectrum ID=1jjNnaLvol

(accessed ).
(2S,5'S,4S)-N-TERT.-BUTYLOXYCARBONYL-2-(4',5'-DIHYDRO-5'-ISOPROPYL-1',3'-OXAZOL-2'-YL)-4-DIPHENYLPHOSPHINOTHIOYLPROLINE
SpectraBase Compound ID AKIBOz2rntt
InChI InChI=1S/2C27H35N2O3PS/c2*1-19(2)23-18-31-25(28-23)24-16-22(17-29(24)26(30)32-27(3,4)5)33(34,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h2*6-15,19,22-24H,16-18H2,1-5H3/t2*22-,23-,24-/m00/s1
InChIKey SRDSKMOJQXUODU-JZHMMRDUSA-N
Mol Weight 997.2 g/mol
Molecular Formula C54H70N4O6P2S2
Exact Mass 996.421207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jjNnaLvol
Name (2S,5'S,4S)-N-TERT.-BUTYLOXYCARBONYL-2-(4',5'-DIHYDRO-5'-ISOPROPYL-1',3'-OXAZOL-2'-YL)-4-DIPHENYLPHOSPHINOTHIOYLPROLINE
Compound Number 15
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H70N4O6P2S2
InChI InChI=1S/2C27H35N2O3PS/c2*1-19(2)23-18-31-25(28-23)24-16-22(17-29(24)26(30)32-27(3,4)5)33(34,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h2*6-15,19,22-24H,16-18H2,1-5H3/t2*22-,23-,24-/m00/s1
InChIKey SRDSKMOJQXUODU-JZHMMRDUSA-N
Literature Reference Author S.R.GILBERTSON,D.XIE,Z.FU
Literature Reference Citation J.ORG.CHEM.,66,7240(2001)
Literature Reference DOI 10.1021/jo0158231
Molecular Weight 997.241 g/mol
Solvent CDCl3
Source File Reference UWLU28532
SpectraBase Batch ID HpfMwsDVgss